Caesium in PDB 3nh4: Crystal Structure of Murine Aminoacylase 3

The structure of Crystal Structure of Murine Aminoacylase 3, PDB code: 3nh4 was solved by J.M.Hsieh, K.Tsirulnikov, M.R.Sawaya, N.Magilnick, N.Abuladze, I.Kurtz, J.Abramson, A.Pushkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 2.00
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	93.661, 93.661, 97.128, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 20.7

The structure of Crystal Structure of Murine Aminoacylase 3 also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Caesium atom in the Crystal Structure of Murine Aminoacylase 3 (pdb code 3nh4). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 2 binding sites of Caesium where determined in the Crystal Structure of Murine Aminoacylase 3, PDB code: 3nh4:
Jump to Caesium binding site number: 1; 2;

Caesium binding site 1 out of 2 in the Crystal Structure of Murine Aminoacylase 3


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of Murine Aminoacylase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs320 b:44.0 occ:0.43 O A:ASP250 3.2 29.6 1.0 O A:ASN121 3.3 28.9 1.0 O A:ASP248 3.5 28.8 1.0 ND2 A:ASN121 3.6 28.6 1.0 OE2 A:GLU252 3.8 59.6 1.0 N A:ASP250 3.8 26.6 1.0 CG A:ASN121 4.2 31.8 1.0 C A:ASP250 4.2 29.7 1.0 C A:HIS249 4.2 28.2 1.0 CA A:HIS249 4.4 29.1 1.0 CA A:ASP250 4.4 25.7 1.0 CB A:ASP250 4.4 25.9 1.0 C A:ASP248 4.5 25.9 1.0 C A:ASN121 4.5 30.6 1.0 CB A:ASN121 4.7 25.5 1.0 CD A:GLU252 4.7 55.3 1.0 OD1 A:ASN121 4.7 28.5 1.0 N A:HIS249 4.9 25.0 1.0 CG A:GLU252 4.9 46.3 1.0 O A:HIS249 4.9 30.0 1.0 OD1 A:ASP250 5.0 25.3 1.0

Caesium binding site 2 out of 2 in the Crystal Structure of Murine Aminoacylase 3


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of Murine Aminoacylase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs321 b:0.5 occ:0.76 O A:GLN42 3.5 39.0 1.0 O A:GLY39 3.6 38.3 1.0 NH1 A:ARG43 4.5 34.5 1.0 C A:GLN42 4.5 38.0 1.0 C A:GLY39 4.6 41.5 1.0 CA A:GLU40 4.9 39.2 1.0 O A:GLU40 4.9 31.9 1.0 CB A:GLN42 4.9 38.3 1.0

J.M.Hsieh, K.Tsirulnikov, M.R.Sawaya, N.Magilnick, N.Abuladze, I.Kurtz, J.Abramson, A.Pushkin. Structures of Aminoacylase 3 in Complex with Acetylated Substrates. Proc.Natl.Acad.Sci.Usa V. 107 17962 2010.
ISSN: ISSN 0027-8424
PubMed: 20921362
DOI: 10.1073/PNAS.1006687107